| SpectraBase Compound ID | 2TA4D9ThM5A |
|---|---|
| InChI | InChI=1S/C52H58O21/c1-24(53)66-41-21-32-35(61-9)22-40(72-52-51(70-28(5)57)49(68-26(3)55)42(23-65-52)67-25(2)54)44(48(32)73-46(41)29-13-15-33(59-7)36(17-29)62-10)45-43-38(64-12)19-31(58-6)20-39(43)71-47(50(45)69-27(4)56)30-14-16-34(60-8)37(18-30)63-11/h13-20,22,41-42,45-47,49-52H,21,23H2,1-12H3/t41-,42+,45-,46-,47-,49-,50-,51+,52-/m1/s1 |
| InChIKey | CICIWCHCFVIGIR-UPKYYHODSA-N |
| Mol Weight | 1019.0 g/mol |
| Molecular Formula | C52H58O21 |
| Exact Mass | 1018.347059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhySPHTL3su |
|---|---|
| Name | HEPTA-O-ACETYL-HEXA-O-METHYL-EPICATECHIN-(4-BETA->8)-7-O-BETA-XYLOPYRANOSYL-EPICATECHIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H58O21 |
| InChI | InChI=1S/C52H58O21/c1-24(53)66-41-21-32-35(61-9)22-40(72-52-51(70-28(5)57)49(68-26(3)55)42(23-65-52)67-25(2)54)44(48(32)73-46(41)29-13-15-33(59-7)36(17-29)62-10)45-43-38(64-12)19-31(58-6)20-39(43)71-47(50(45)69-27(4)56)30-14-16-34(60-8)37(18-30)63-11/h13-20,22,41-42,45-47,49-52H,21,23H2,1-12H3/t41-,42+,45-,46-,47-,49-,50-,51+,52-/m1/s1 |
| InChIKey | CICIWCHCFVIGIR-UPKYYHODSA-N |
| Literature Reference Author | M.BEKKER,R.BEKKER,V.E.BRANDT |
| Literature Reference Citation | PHYTOCHEM.,67,818(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.01.015 |
| Molecular Weight | 1019.020 g/mol |
| Sample ID | 66187 |
| Solvent | CDCl3 |